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PUBCHEM-ZINC02567663

 MMsINC code: MMs02902215
Type: Neutral
Formula: C11H21NO4
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)C(OC)=O
InChI:   InChI=1/C11H21NO4/c1-7(2)8(9(13)15-6)12-10(14)16-11(3,4)5/h7-8H,1-6H3,(H,12,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=41.0541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.292 g/mol  logS: -1.96048  SlogP: 1.7087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107423  Sterimol/B1: 2.54864  Sterimol/B2: 2.57397  Sterimol/B3: 4.31522
  Sterimol/B4: 6.29392  Sterimol/L: 14.1661 
 
 Surface and Volume Properties
  Accessible surface: 468.106  Positive charged surface: 344.496  Negative charged surface: 123.61  Volume: 235.125
  Hydrophobic surface: 320.244  Hydrophilic surface: 147.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.